Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 7/20 | 0.55 |
| ▸ | CASP7 | P55210 | 6/20 | 0.55 |
| ▸ | CASP9 | P55211 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.52 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.51 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.51 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.51 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.51 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.51 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5337048 | 1.00 | CASP3 (0.55) | CASP3CASP7CASP9RAB9APAX8 | |
| SCHEMBL8206525 | 1.00 | CASP3 (0.55) | CASP3CASP7CASP9RAB9APAX8 | |
| SCHEMBL10799289 | 0.96 | PSEN1 (0.56) | CASP3CASP7CASP9RAB9APAX8 | |
| SCHEMBL10799883 | 0.96 | PSEN1 (0.56) | CASP3CASP7CASP9RAB9APAX8 | |
| SCHEMBL12169307 | 0.89 | CASP3 (0.64) | CASP3CASP7CASP9RAB9APAX8 | |
| SCHEMBL15013035 | 0.89 | CASP3 (0.64) | CASP3CASP7CASP9RAB9APAX8 | |
| SCHEMBL15013036 | 0.89 | CASP3 (0.64) | CASP3CASP7CASP9RAB9APAX8 | |
| SCHEMBL13224014 | 0.84 | GAA (0.45) | CASP3CASP7RAB9ATSHRGAA | |
| SCHEMBL19000604 | 0.84 | PSEN1 (0.70) | RAB9APAX8PSEN1PSEN2APH1B | |
| SCHEMBL12169293 | 0.84 | PSEN1 (0.70) | RAB9APAX8PSEN1PSEN2APH1B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0999205-A1 | AMINOCYCLOALKANE COMPOUNDS | Mitsubishi-Tokyo Pharmaceuticals, Inc. (JP) | 2000-05-10 | — | — | EP | disclosed |
| EP-0404359-B1 | Dibenzothiazepine derivatives useful as antispasmodic agents | PFIZER LTD (GB) | 1994-06-29 | — | — | EP | disclosed |
| US-5071844-A | Antispasmodic agents | PFIZER INC. (US) | 1991-12-10 | — | — | US | disclosed |
| EP-0404359-A1 | Dibenzothiazepine derivatives useful as antispasmodic agents | Pfizer Limited (GB) | 1990-12-27 | — | — | EP | disclosed |